How to create new dataset ?

lishuya17 / MONN

MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins

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How to create new dataset ? #6

Open dxyzx0 opened 4 years ago

dxyzx0 commented 4 years ago

For example pdbbind-v2019.

I know there's a Dataset_construction_protocol.txt in the folder create_dataset. But I still don't know what to put into the folder ./pdbbind_files and ./pdbbind_index/.

Can you provide a little example of these files for instructions??

Thank you very much!!